Information card for entry 4134639

Structure parameters

• Formula: C68 H76 Co N12 O22
• Calculated formula: C68 H60 Co N12 O22
• Title of publication: Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.
• Authors of publication: Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.617 ± 0.002 Å
• b: 12.641 ± 0.003 Å
• c: 13.803 ± 0.003 Å
• α: 106.8 ± 0.03°
• β: 104.68 ± 0.03°
• γ: 93.65 ± 0.03°
• Cell volume: 1696.7 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No